(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(3,4-diethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(3,4-diethoxyphenyl)carbonylamino]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(3,4-diethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OCC

InChI

InChI=1S/C21H22N4O6/c1-3-29-17-10-9-14(11-18(17)30-4-2)20(27)22-12-19(26)31-13-25-21(28)15-7-5-6-8-16(15)23-24-25/h5-11H,3-4,12-13H2,1-2H3,(H,22,27)